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Ligand

NameCHEMBL3974002
Molecular formulaC25H27N5O2
IUPAC name5-[3-[1-[(3R)-3-aminopyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
Molecular weight429.524
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL12420973
Inchi KeyAHJFTYAPMAQGIJ-ZZWBGTBQSA-N
Inchi IDInChI=1S/C25H27N5O2/c1-15(2)31-23-9-6-16(12-17(23)13-26)25-28-24(29-32-25)21-5-3-4-20-19(21)7-8-22(20)30-11-10-18(27)14-30/h3-6,9,12,15,18,22H,7-8,10-11,14,27H2,1-2H3/t18-,22?/m1/s1
PubChem CID52939782
ChEMBLCHEMBL3974002
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536079Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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